Molecule ID: mol4298

SMILES: Nc1nnnn1-c1cccc(Cl)c1

InChI: InChI=1S/C7H6ClN5/c8-5-2-1-3-6(4-5)13-7(9)10-11-12-13/h1-4H,(H2,9,10,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.70 QSARToolbox 1 » 0
0.70 OCHEM 1 » 0
0.70 Datawarrior 1 » 0
0.70 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization